Summary

IMPPAT Phytochemical identifier: IMPHY004672

Phytochemical name: Falcarindiol

Synonymous chemical names:
falcarindiol

External chemical identifiers:
CID:5281148, ChEMBL:CHEMBL69018, ZINC:ZINC000008214562, SureChEMBL:SCHEMBL40935, MolPort-028-754-116

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Chemical structure information

SMILES:
CCCCCCC/C=C[C@@H](C#CC#C[C@@H](C=C)O)O

InChI:
InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-/t16-,17+/m1/s1

InChIKey:
QWCNQXNAFCBLLV-YWALDVPYSA-N

DeepSMILES:
CCCCCCC/C=C[C@@H]C#CC#C[C@@H]C=C))O))))))O

Functional groups:
C/C=CC, C=CC, CC#CC#CC, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 2.391

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Chemical structure download